3-azanyl-2-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-6-nitro-benzoic acid

Systemtic Name: 3-azanyl-2-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-6-nitro-benzoic acid Openeye Name: 3-amino-2-(2-amino-5-hydroxy-5-oxo-pentanoyl)-6-nitro-benzoic acid CAS Name: 3-amino-2-(2-amino-5-hydroxy-1,5-dioxopentyl)-6-nitrobenzoic acid IUPAC Name: 3-amino-2-(2-amino-5-hydroxy-5-oxopentanoyl)-6-nitrobenzoic acid Traditional Name: 3-amino-2-(2-amino-5-hydroxy-5-keto-pentanoyl)-6-nitro-benzoic acid Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)C(=O)C(CCC(=O)O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1N)C(=O)C(CCC(=O)O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7/c13-5-1-3-7(15(21)22)10(12(19)20)9(5)11(18)6(14)2-4-8(16)17/h1,3,6H,2,4,13-14H2,(H,16,17)(H,19,20)